Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Apoptosis regulator Bcl-2' and Ligand = 'BDBM177825'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Apoptosis regulator Bcl-2 (Homo sapiens (Human))	BDBM177825 (US9120791, Example 44 | US9603854, 44) Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C44H43FN6O4/c1-47-40-16-12-34(23-31(40)26-46-47)51(33-10-13-36(52)14-11-33)44(54)39-25-42(49-17-5-4-8-41(39)49)38-24-32(45)9-15-37(38)43(53)50-27-30-7-3-2-6-29(30)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-16,23-26,35,52H,4-5,8,17-22,27-28H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9603854 (2017) BindingDB Entry DOI: 10.7270/Q2GX4DMT
					More data for this Ligand-Target Pair
Apoptosis regulator Bcl-2 (Mus musculus (Mouse))	BDBM177825 (US9120791, Example 44 | US9603854, 44) Show SMILES Cn1ncc2cc(ccc12)N(C(=O)c1cc(-c2cc(F)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n2CCCCc12)c1ccc(O)cc1 Show InChI InChI=1S/C44H43FN6O4/c1-47-40-16-12-34(23-31(40)26-46-47)51(33-10-13-36(52)14-11-33)44(54)39-25-42(49-17-5-4-8-41(39)49)38-24-32(45)9-15-37(38)43(53)50-27-30-7-3-2-6-29(30)22-35(50)28-48-18-20-55-21-19-48/h2-3,6-7,9-16,23-26,35,52H,4-5,8,17-22,27-28H2,1H3/t35-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.4	n/a
LES LABORATOIRES SERVIER; VERNALIS (R&D) LTD US Patent					Assay Description The fluorescence polarisation tests were carried out on microplates (384 wells). The Bcl-2 protein, at a final concentration of 2.50×10−8 M, is...				US Patent US9120791 (2015) BindingDB Entry DOI: 10.7270/Q21N7ZWC
					More data for this Ligand-Target Pair